SCHEMBL4701768

SCHEMBL4701768

CCOCCn1nc(C(=O)OC)c2nc(Cl)nc(NC3CCCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.39
PDE5A O76074 10/20 0.37
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
NR2F2 P24468 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL332232 0.99 ADORA3 (0.38) ADORA3PDE5AKCNH2KMT2APOLB
SCHEMBL14290023 0.90 PDE5A (0.45) ADORA3PDE5AKCNH2ADORA1ADORA2A
SCHEMBL4705717 0.86 PDE5A (0.40) ADORA3PDE5AKCNH2ADORA1ADORA2A
SCHEMBL8295685 0.82 PDE5A (0.38) ADORA3PDE5AKCNH2ADORA1ADORA2A
SCHEMBL331494 0.81 PDE5A (0.36) PDE5ANPSR1
SCHEMBL8294730 0.80 PDE5A (0.45) ADORA3PDE5AKCNH2KMT2AADORA1
SCHEMBL4471824 0.75 PDE5A (0.52) PDE5AKCNH2
SCHEMBL331734 0.75
SCHEMBL14533712 0.74 PDE5A (0.54) PDE5AKCNH2
SCHEMBL332444 0.74 EGFR (0.32) PDE5ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105877-A1 Pyrazolopyrimidines DPYD, CYP2D6, TPMT ADORA3 2841/4885PDE5A 724/4885KCNH2 201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.